2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine

C15H17ClN2O — CID 133360019

IUPAC2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
SMILESCOc1ccc(CCCNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-14-6-4-12(5-7-14)3-2-9-17-13-8-10-18-15(16)11-13/h4-8,10-11H,2-3,9H2,1H3,(H,17,18)
InChIKeyBHFAUOHWTXFQNK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.79
Rot. Bonds6

About 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine

2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine (PubChem CID 133360019) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
PubChem CID133360019
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
SMILESCOc1ccc(CCCNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-14-6-4-12(5-7-14)3-2-9-17-13-8-10-18-15(16)11-13/h4-8,10-11H,2-3,9H2,1H3,(H,17,18)
InChIKeyBHFAUOHWTXFQNK-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine (CID 133360019) is 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine is COc1ccc(CCCNc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine?
The InChIKey is BHFAUOHWTXFQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-14-6-4-12(5-7-14)3-2-9-17-13-8-10-18-15(16)11-13/h4-8,10-11H,2-3,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine?
2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine is sourced from PubChem (CID 133360019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).